(3-methylthiophen-2-yl)methyl-[(2S)-2-oxidanylpropyl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: (3-methylthiophen-2-yl)methyl-[(2S)-2-oxidanylpropyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[(3-methyl-2-thiophenyl)methyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[(3-methylthiophen-2-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[(3-methyl-2-thienyl)methyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](CC2=CN(N=C2)C3=CC=CC=C3)CC(C)O

Isomeric SMILES

CC1=C(SC=C1)C[NH+](CC2=CN(N=C2)C3=CC=CC=C3)C[C@H](C)O

InChI

InChI=1S/C19H23N3OS/c1-15-8-9-24-19(15)14-21(11-16(2)23)12-17-10-20-22(13-17)18-6-4-3-5-7-18/h3-10,13,16,23H,11-12,14H2,1-2H3/p+1/t16-/m0/s1